CID 12511332

2108830-93-7

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CNC1=CC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C12H11NO2/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12(14)15/h2-7,13H,1H3,(H,14,15)

InChIKey

AAABZGVXAOQRDE-UHFFFAOYSA-N

Compound name

3-(methylamino)naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 201.07898 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.08626	142.0
[M+Na]+	224.06820	155.1
[M+NH4]+	219.11280	150.7
[M+K]+	240.04214	148.5
[M-H]-	200.07170	144.9
[M+Na-2H]-	222.05365	148.8
[M]+	201.07843	144.6
[M]-	201.07953	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe